(2S)-2-(6-azanylhexanoylamino)-N-[(2R)-2-azanyl-3-phenyl-propyl]-4-methyl-pentanamide

Systemtic Name: (2S)-2-(6-azanylhexanoylamino)-N-[(2R)-2-azanyl-3-phenyl-propyl]-4-methyl-pentanamide Openeye Name: (2S)-2-(6-aminohexanoylamino)-N-[(2R)-2-amino-3-phenyl-propyl]-4-methyl-pentanamide CAS Name: (2S)-2-[(6-amino-1-oxohexyl)amino]-N-[(2R)-2-amino-3-phenylpropyl]-4-methylpentanamide IUPAC Name: (2S)-2-(6-aminohexanoylamino)-N-[(2R)-2-amino-3-phenylpropyl]-4-methylpentanamide Traditional Name: (2S)-2-(6-aminohexanoylamino)-N-[(2R)-2-amino-3-phenyl-propyl]-4-methyl-valeramide Formula: C21H36N4O2 MolecularWeight: 376.53614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC(CC1=CC=CC=C1)N)NC(=O)CCCCCN

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC[C@@H](CC1=CC=CC=C1)N)NC(=O)CCCCCN

InChI

InChI=1S/C21H36N4O2/c1-16(2)13-19(25-20(26)11-7-4-8-12-22)21(27)24-15-18(23)14-17-9-5-3-6-10-17/h3,5-6,9-10,16,18-19H,4,7-8,11-15,22-23H2,1-2H3,(H,24,27)(H,25,26)/t18-,19+/m1/s1